3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)-1-phenyl-pyrrole-2,5-dione

HCID 67017052
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Basic information

Standard SMILES
O=C1C(c2c[nH]c3ccccc23)=C(c2cn3c4c(cccc24)CCC3)C(=O)N1c1ccccc1
InChIKey
PKXPSWOPZZBYDS-UHFFFAOYSA-N
Molecular formula
C29H21N3O2
Average molar mass
443.5 g/mol
Monoisotopic mass
443.16337692

Names & identifiers

Preferred name
3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)-1-phenyl-pyrrole-2,5-dione
IUPAC
3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)-1-phenylpyrrole-2,5-dione

Names & synonyms

SCHEMBL1395793PKXPSWOPZZBYDS-UHFFFAOYSA-N3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)-1-phenyl-pyrrole-2,5-dione

Database identifiers

PubChem CID
67017052

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
58.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
34

Related reactions

6 records
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Linked notes

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